5-[(4-tert-butylphenoxy)methyl]-3-(3-nitrophenyl)-1H-1,2,4-triazole

Systemtic Name: 5-[(4-tert-butylphenoxy)methyl]-3-(3-nitrophenyl)-1H-1,2,4-triazole Openeye Name: 5-[(4-tert-butylphenoxy)methyl]-3-(3-nitrophenyl)-1H-1,2,4-triazole CAS Name: 5-[(4-tert-butylphenoxy)methyl]-3-(3-nitrophenyl)-1H-1,2,4-triazole IUPAC Name: 5-[(4-tert-butylphenoxy)methyl]-3-(3-nitrophenyl)-1H-1,2,4-triazole Traditional Name: 5-[(4-tert-butylphenoxy)methyl]-3-(3-nitrophenyl)-1H-1,2,4-triazole Formula: C19H20N4O3 MolecularWeight: 352.3871

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OCC2=NC(=NN2)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OCC2=NC(=NN2)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H20N4O3/c1-19(2,3)14-7-9-16(10-8-14)26-12-17-20-18(22-21-17)13-5-4-6-15(11-13)23(24)25/h4-11H,12H2,1-3H3,(H,20,21,22)